3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C6H9N7S — CID 130949125

IUPAC3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1nnsc1CNc1n[nH]c(N)n1
InChIInChI=1S/C6H9N7S/c1-3-4(14-13-10-3)2-8-6-9-5(7)11-12-6/h2H2,1H3,(H4,7,8,9,11,12)
InChIKeySCPHTPLTUGESDJ-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.16
Rot. Bonds3

About 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 130949125) has the molecular formula C6H9N7S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID130949125
Molecular FormulaC6H9N7S
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC Name3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1nnsc1CNc1n[nH]c(N)n1
InChIInChI=1S/C6H9N7S/c1-3-4(14-13-10-3)2-8-6-9-5(7)11-12-6/h2H2,1H3,(H4,7,8,9,11,12)
InChIKeySCPHTPLTUGESDJ-UHFFFAOYSA-N
XLogP0.16
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 130949125) is 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1nnsc1CNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is SCPHTPLTUGESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7S/c1-3-4(14-13-10-3)2-8-6-9-5(7)11-12-6/h2H2,1H3,(H4,7,8,9,11,12).
What are the key properties of 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 211.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylthiadiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 130949125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).